1-[(2R)-2-aminopropyl]-4-tert-butylpyrrolidin-2-one

C11H22N2O — CID 104511523

IUPAC1-[(2R)-2-aminopropyl]-4-tert-butylpyrrolidin-2-one
SMILESC[C@@H](N)CN1CC(C(C)(C)C)CC1=O
InChIInChI=1S/C11H22N2O/c1-8(12)6-13-7-9(5-10(13)14)11(2,3)4/h8-9H,5-7,12H2,1-4H3/t8-,9?/m1/s1
InChIKeyFHJDIZXMNPPLLX-VEDVMXKPSA-N
MW198.31 g/mol
LogP1.23
Rot. Bonds2

About 1-[(2R)-2-aminopropyl]-4-tert-butylpyrrolidin-2-one

1-[(2R)-2-aminopropyl]-4-tert-butylpyrrolidin-2-one (PubChem CID 104511523) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-[(2R)-2-aminopropyl]-4-tert-butylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2R)-2-aminopropyl]-4-tert-butylpyrrolidin-2-one
PubChem CID104511523
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-[(2R)-2-aminopropyl]-4-tert-butylpyrrolidin-2-one
SMILESC[C@@H](N)CN1CC(C(C)(C)C)CC1=O
InChIInChI=1S/C11H22N2O/c1-8(12)6-13-7-9(5-10(13)14)11(2,3)4/h8-9H,5-7,12H2,1-4H3/t8-,9?/m1/s1
InChIKeyFHJDIZXMNPPLLX-VEDVMXKPSA-N
XLogP1.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-amino-2-cyclopropylethyl)-4-tert-butylpyrrolidin-2-one
CID 104511575
1-(3-bromo-2-methylpropyl)-4-tert-butylpyrrolidin-2-one
CID 104511319
1-(3-amino-2-ethoxypropyl)-4-tert-butylpyrrolidin-2-one
CID 104511049
1-(2-aminopropyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168669215
1-(3-bromo-2-phenylpropyl)-4-tert-butylpyrrolidin-2-one
CID 104511323
5-tert-butyl-1-(2-methylpropyl)piperidin-2-one
CID 139951314
3-(4-tert-butyl-2-oxopyrrolidin-1-yl)-2,2-dimethylpropanehydrazide
CID 104512871
4-tert-butyl-1-[2-hydroxy-2-(3-methylphenyl)ethyl]pyrrolidin-2-one
CID 104512641
1-[2-(bromomethyl)-2-ethylbutyl]-4-tert-butylpyrrolidin-2-one
CID 104511311
ethyl 4-(4-tert-butyl-2-oxopyrrolidin-1-yl)-3-oxobutanoate
CID 104512278
4-tert-butyl-1-(3-methoxy-2-oxopropyl)pyrrolidin-2-one
CID 107507877
1-[(3-aminophenyl)methyl]-4-tert-butylpyrrolidin-2-one
CID 104510947

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-aminopropyl]-4-tert-butylpyrrolidin-2-one?
The IUPAC name of 1-[(2R)-2-aminopropyl]-4-tert-butylpyrrolidin-2-one (CID 104511523) is 1-[(2R)-2-aminopropyl]-4-tert-butylpyrrolidin-2-one.
What is the SMILES notation for 1-[(2R)-2-aminopropyl]-4-tert-butylpyrrolidin-2-one?
The canonical SMILES for 1-[(2R)-2-aminopropyl]-4-tert-butylpyrrolidin-2-one is C[C@@H](N)CN1CC(C(C)(C)C)CC1=O.
What is the InChIKey of 1-[(2R)-2-aminopropyl]-4-tert-butylpyrrolidin-2-one?
The InChIKey is FHJDIZXMNPPLLX-VEDVMXKPSA-N. The full InChI is InChI=1S/C11H22N2O/c1-8(12)6-13-7-9(5-10(13)14)11(2,3)4/h8-9H,5-7,12H2,1-4H3/t8-,9?/m1/s1.
What are the key properties of 1-[(2R)-2-aminopropyl]-4-tert-butylpyrrolidin-2-one?
1-[(2R)-2-aminopropyl]-4-tert-butylpyrrolidin-2-one has a molecular weight of 198.31 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-aminopropyl]-4-tert-butylpyrrolidin-2-one is sourced from PubChem (CID 104511523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).